RO-3306 3 to 4μM on day4 R04 exp165 [The Human Chemical-Genetic Interaction Map Project]

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====== RO-3306 3 to 4μM on day4 R04 exp165 ======
==== Mechanism of Action ====
Inhibits CDK1, ATP-competitive, causes G2/M arrest
  * **<color #00a2e8>Class / Subclass 1:</color>** Cell Cycle / Kinase Inhibitor




==== Technical Notes ====
<accordion collapsed='true'>
<panel title='Compound References' collapsed='true'>
    * **<color #00a2e8>PubChem Name:</color>** %%(5Z)-5-(Quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one%%
    * **<color #00a2e8>Synonyms:</color>** N/A
    * **<color #00a2e8>CAS #:</color>** 872573-93-8
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/135400873|135400873]]
    * **<color #00a2e8>IUPAC:</color>** %%(5Z)-5-(quinolin-6-ylmethylidene)-2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-4-one%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)/b16-10-
    * **<color #00a2e8>INCHI Key:</color>** XOLMRFUGOINFDQ-YBEGLDIGSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 351.4
    * **<color #00a2e8>Canonical SMILES:</color>** C1=CC2=C(C=CC(=C2)C=C3C(=O)NC(=NCC4=CC=CS4)S3)N=C1
    * **<color #00a2e8>Isomeric SMILES:</color>** C1=CC2=C(C=CC(=C2)/C=C\\3/C(=O)NC(=NCC4=CC=CS4)S3)N=C1
    * **<color #00a2e8>Molecular Formula:</color>** C18H13N3OS2
{{:chemogenomics:structures:chem-0056.svg?nolink}}
</panel>


<panel title='Compound Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Tocris Bioscience
    * **<color #00a2e8>Catalog #:</color>** 4181
    * **<color #00a2e8>Lot #:</color>** N/A
</panel>


<panel title='Compound Characterization' collapsed='true'>
    * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+H)+ Calcd for C18H13N3OS2 352.05728; found 352.05802
</panel>


<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** RO-3306
    * **<color #00a2e8>Min:</color>** -19.9269; **<color #00a2e8>Max:</color>** 63.7506
{{:chemogenomics:dose_response:dr_236.png?nolink&500 |}}
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|< 300px 100px 200px >|
^ IC   ^ Concentration (µM) ^
| IC10  |N/A    |
| IC20  |5.6881    |
| IC30  |7.8448    |
| IC40  |10.2102    |
| IC50  |13.0035    |
| IC60  |N/A    |
| IC70  |N/A    |
| IC80  |N/A    |
| IC90  |N/A    |
\\ 
</panel>
</accordion>
==== Screen Summary ====
    * **<color #00a2e8>Round</color>**: 04
    * **<color #00a2e8>Dose</color>**: 3-4µM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 7.1
    * **<color #00a2e8>Numbers of reads</color>**: 18779480


==== Screen Results ====


^Sensitive/Resistant hits (FDR<0.05)^CRANKS^Score Plot^Top 30 Genes^Screen Similarity^Top 30 Sensitive GO terms^Top 30 Resistant GO terms^
|0/0|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/RO_3306_3-4day4uM_Round-4_exp165.txt|Scores]]</color>|<button type="primary" size="sm" modal="ScorePlot">View</button>|<button type="primary" size="sm" modal="modal_hits">View</button>|<button type="primary" size="sm" modal="modal_screen_similarity">View</button>|<button type="default" size="sm" modal="modal_go_sensitive">View</button>|<button type="default" size="sm" modal="modal_go_resistant">View</button>|
<modal id='ScorePlot' size='lg' title='RO-3306 3 to 4μM on day4 R04 exp165'>
{{:chemogenomics:cranks_plots:exp165.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:Q:QRICH1|QRICH1]]|-2.80|0.20|
|[[:human_genes:K:KDSR|KDSR]]|-2.59|0.20|
|[[:human_genes:C:C17orf85|C17orf85]]|-2.44|0.22|
|[[:human_genes:C:CEP57|CEP57]]|-2.43|0.22|
|[[:human_genes:Z:ZNF519|ZNF519]]|-2.42|0.20|
|[[:human_genes:M:MTSS1L|MTSS1L]]|-2.34|0.22|
|[[:human_genes:C:CCNB1|CCNB1]]|-2.26|0.36|
|[[:human_genes:L:LAMTOR4|LAMTOR4]]|-2.26|0.22|
|[[:human_genes:F:FKBP14|FKBP14]]|-2.17|0.32|
|[[:human_genes:N:NPRL2|NPRL2]]|-2.07|0.46|
|[[:human_genes:A:ALKBH1|ALKBH1]]|-2.07|0.59|
|[[:human_genes:T:TNFRSF10D|TNFRSF10D]]|-2.03|0.53|
|[[:human_genes:A:ATP2B1|ATP2B1]]|-2.03|0.59|
|[[:human_genes:R:RSL24D1|RSL24D1]]|-2.02|0.59|
|[[:human_genes:K:KDM6B|KDM6B]]|-1.98|0.59|
|[[:human_genes:R:RBMS1|RBMS1]]|-1.96|0.59|
|[[:human_genes:T:TNFRSF1A|TNFRSF1A]]|-1.95|0.59|
|[[:human_genes:D:DRD5|DRD5]]|-1.91|0.59|
|[[:human_genes:C:CENPN|CENPN]]|-1.90|0.59|
|[[:human_genes:R:RMI1|RMI1]]|-1.89|0.59|
|[[:human_genes:R:RTF1|RTF1]]|-1.87|0.59|
|[[:human_genes:P:PGGT1B|PGGT1B]]|-1.86|0.59|
|[[:human_genes:T:TAF5L|TAF5L]]|-1.86|0.59|
|[[:human_genes:H:HSPA1L|HSPA1L]]|-1.85|0.59|
|[[:human_genes:C:CCDC101|CCDC101]]|-1.85|0.59|
|[[:human_genes:D:DCTN5|DCTN5]]|-1.85|0.59|
|[[:human_genes:L:LPP|LPP]]|-1.85|0.59|
|[[:human_genes:C:CADPS|CADPS]]|-1.83|0.59|
|[[:human_genes:C:C1orf131|C1orf131]]|-1.83|0.63|
|[[:human_genes:M:MYADM|MYADM]]|-1.82|0.59|
|[[:human_genes:H:HK1|HK1]]|1.98|0.48|
|[[:human_genes:F:FAM231A|FAM231A]]|2.00|0.50|
|[[:human_genes:F:FAM231C|FAM231C]]|2.00|0.50|
|[[:human_genes:C:CDKN1A|CDKN1A]]|2.00|0.48|
|[[:human_genes:A:ANKRD7|ANKRD7]]|2.03|0.44|
|[[:human_genes:R:RFC2|RFC2]]|2.06|0.60|
|[[:human_genes:M:MMS22L|MMS22L]]|2.07|0.50|
|[[:human_genes:P:PAFAH1B1|PAFAH1B1]]|2.10|0.71|
|[[:human_genes:C:C1orf198|C1orf198]]|2.10|0.34|
|[[:human_genes:C:CCDC135|CCDC135]]|2.12|0.33|
|[[:human_genes:M:MANSC4|MANSC4]]|2.12|0.33|
|[[:human_genes:C:CRNKL1|CRNKL1]]|2.13|0.50|
|[[:human_genes:G:GPR183|GPR183]]|2.14|0.33|
|[[:human_genes:P:PPP1R13L|PPP1R13L]]|2.14|0.33|
|[[:human_genes:T:TBC1D3I|TBC1D3I]]|2.15|0.68|
|[[:human_genes:T:TBC1D3E|TBC1D3E]]|2.16|0.68|
|[[:human_genes:T:TBC1D3K|TBC1D3K]]|2.16|0.68|
|[[:human_genes:T:TBC1D3L|TBC1D3L]]|2.16|0.68|
|[[:human_genes:H:HAP1|HAP1]]|2.17|0.43|
|[[:human_genes:H:HSF1|HSF1]]|2.20|0.33|
|[[:human_genes:C:CDC45|CDC45]]|2.26|0.52|
|[[:human_genes:R:RSL1D1|RSL1D1]]|2.32|0.33|
|[[:human_genes:K:KAT8|KAT8]]|2.32|0.33|
|[[:human_genes:K:KARS|KARS]]|2.38|0.50|
|[[:human_genes:S:SMC4|SMC4]]|2.45|0.33|
|[[:human_genes:T:TRAIP|TRAIP]]|2.49|0.33|
|[[:human_genes:F:FAM189A2|FAM189A2]]|2.51|0.33|
|[[:human_genes:R:RPS6|RPS6]]|2.54|0.50|
|[[:human_genes:R:RPL31|RPL31]]|2.55|0.33|
|[[:human_genes:S:SMG5|SMG5]]|2.59|0.60|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp177|Apcin 25μM plus proTAME 2μM R04 exp177]]|0.055|<button type="primary" size="small" modal="1">View</button>|
</modal>


<modal id="1" size="lg" title="Apcin 25μM plus proTAME 2μM R04 exp177  vs  RO-3306 3 to 4μM on day4 R04 exp165">
{{:chemogenomics:comparison_plots:exp165_vs_exp177.png?nolink |}}
</modal>



<modal id="modal_go_sensitive" size="lg" title="Top 30 sensitive GO terms">No GO term hits below threshold. (FDR <0.05)</modal>
<modal id="modal_go_resistant" size="lg" title="Top 30 resistant GO terms">No GO term hits below threshold. (FDR <0.05)</modal>